3,7-dichloro-N-ethoxyquinoline-8-carboxamide

C12H10Cl2N2O2 — CID 15595572

IUPAC3,7-dichloro-N-ethoxyquinoline-8-carboxamide
SMILESCCONC(=O)c1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-16-12(17)10-9(14)4-3-7-5-8(13)6-15-11(7)10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyCLZYMHQIVIRUBA-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.22
Rot. Bonds3

About 3,7-dichloro-N-ethoxyquinoline-8-carboxamide

3,7-dichloro-N-ethoxyquinoline-8-carboxamide (PubChem CID 15595572) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,7-dichloro-N-ethoxyquinoline-8-carboxamide.

Molecular Properties

Compound Name3,7-dichloro-N-ethoxyquinoline-8-carboxamide
PubChem CID15595572
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name3,7-dichloro-N-ethoxyquinoline-8-carboxamide
SMILESCCONC(=O)c1c(Cl)ccc2cc(Cl)cnc12
InChIInChI=1S/C12H10Cl2N2O2/c1-2-18-16-12(17)10-9(14)4-3-7-5-8(13)6-15-11(7)10/h3-6H,2H2,1H3,(H,16,17)
InChIKeyCLZYMHQIVIRUBA-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,7-dichloroquinoline-8-carbonyl chloride
CID 13090840
3,7-dichloroquinoline-8-carboxylic acid;hydrochloride
CID 70394889
ethyl 3-(3,7-dichloroquinolin-8-yl)prop-2-enoate
CID 86250782
(3,7-dichloroquinolin-8-yl) hydrogen carbonate
CID 23205730
methyl 7-chloro-3-methylquinoline-8-carboxylate
CID 21278643
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
1-(7-chloro-3-methylquinolin-8-yl)ethanone;ethane
CID 145100287
7-chloro-3-methylquinoline-8-carboxylic acid;hydrochloride
CID 174825342
[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]methyl 3,7-dichloroquinoline-8-carboxylate
CID 70215448
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
3,5-dichloro-N-ethoxy-2-iodobenzamide
CID 60700722
3,7-dichloro-8-[(4-methylphenoxy)methyl]quinoline
CID 13090799

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-N-ethoxyquinoline-8-carboxamide?
The IUPAC name of 3,7-dichloro-N-ethoxyquinoline-8-carboxamide (CID 15595572) is 3,7-dichloro-N-ethoxyquinoline-8-carboxamide.
What is the SMILES notation for 3,7-dichloro-N-ethoxyquinoline-8-carboxamide?
The canonical SMILES for 3,7-dichloro-N-ethoxyquinoline-8-carboxamide is CCONC(=O)c1c(Cl)ccc2cc(Cl)cnc12.
What is the InChIKey of 3,7-dichloro-N-ethoxyquinoline-8-carboxamide?
The InChIKey is CLZYMHQIVIRUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-2-18-16-12(17)10-9(14)4-3-7-5-8(13)6-15-11(7)10/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of 3,7-dichloro-N-ethoxyquinoline-8-carboxamide?
3,7-dichloro-N-ethoxyquinoline-8-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-N-ethoxyquinoline-8-carboxamide is sourced from PubChem (CID 15595572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).